<meta charset="utf-8">Hello everybody, <div>I'm using g_clustsize to analyze clusters formed in my solution. </div><div>However I noticed that not would get consistent results using the </div><div>complete trajectory (containing both solvent and solute). To see </div>
<div>the aggregation, using g_clustsize, I had to convert my trajectory </div><div>to a file containing only the solute molecules. That's because -mol </div><div>option considered all the molecules in the box (ignoring the index file) </div>
<div>and as a result I always got a single cluster with all the solvent+solute </div><div>molecules. </div><div><br></div><div>Is there a more efficient way to do this? Is this a bug in the program? </div><div>I've been reading all information on this tool from the gmx-list and I </div>
<div>could see some difficulties in dealing with it the way it is.</div><div><div><br></div><div>Bests</div><div>eef</div><div>_______________________________________<br>Eudes Eterno Fileti<br>Centro de Ciências Naturais e Humanas<br>
Universidade Federal do ABC — CCNH<br>Av. dos Estados, 5001<br>Santo André - SP - Brasil<br>CEP 09210-971<br><a href="http://fileti.ufabc.edu.br" target="_blank">http://fileti.ufabc.edu.br</a><br>
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